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Journal articles
X-ray magnetic circular dichroism in (Ge,Mn) compounds: experiments and modeling
Samuel Tardif
1, *
Andrey Titov
2
Emmanuel Arras
3
Ivetta Slipukhina
3
El-Kebir Hlil
4
Salia Cherifi
1
Yves Joly
5
Matthieu Jamet
6
André Barski
7
Joel Cibert
2
Erkin Kulatov
8
Y.A. Uspenskii
9
Pascal Pochet
3, *
*
Corresponding author
3
LSIM - Laboratory of Atomistic Simulation
MEM - Modélisation et Exploration des Matériaux : DRF/IRIG/MEM
7
SiNaps - Silicon Nanoelectronics Photonics and Structures
PHELIQS - PHotonique, ELectronique et Ingénierie QuantiqueS : DRF/IRIG/PHELIQS
Samuel Tardif 1
Correspondent author IdHAL : samuel-tardif
Andrey Titov 2
Author
Emmanuel Arras 3
Author
Ivetta Slipukhina 3
Author
El-Kebir Hlil 4
Author
Salia Cherifi 1
Author IdHAL : salia-cherifi-hertel ResearcherId : http://www.researcherid.com/rid/H-9919-2016 ORCID : https://orcid.org/0000-0002-9617-2098
Yves Joly 5
Author IdHAL : joly-yves ORCID : https://orcid.org/0000-0002-1872-6112
Matthieu Jamet 6
Author IdHAL : matthieu-jamet ORCID : https://orcid.org/0000-0002-8247-4677
André Barski 7
Author
Joel Cibert 2
Author IdHAL : joel-cibert ORCID : https://orcid.org/0000-0002-4506-9613
Erkin Kulatov 8
Author
Y.A. Uspenskii 9
Author
Pascal Pochet 3
Correspondent author
1
MNM - Micro et NanoMagnétisme (Institut NEEL, 25 rue des Martyrs, BP 166,
38042 Grenoble cedex 9 - France)
- NEEL - Institut Néel (Institut NEEL, 25 rue des Martyrs, BP 166,
38042 Grenoble cedex 9 - France)
- UJF - Université Joseph Fourier - Grenoble 1 (BP 53 - 38041 Grenoble Cedex 9 - France)
- CNRS - Centre National de la Recherche Scientifique : UPR2940 (France)
- Grenoble INP - Institut polytechnique de Grenoble - Grenoble Institute of Technology (46 avenue Félix Viallet 38031 Grenoble Cedex 1 - France)
2
NPSC - Nanophysique et Semiconducteurs (Institut NEEL, 25 rue des Martyrs, BP 166,
38042 Grenoble cedex 9 - France)
- NEEL - Institut Néel (Institut NEEL, 25 rue des Martyrs, BP 166,
38042 Grenoble cedex 9 - France)
- UJF - Université Joseph Fourier - Grenoble 1 (BP 53 - 38041 Grenoble Cedex 9 - France)
- CNRS - Centre National de la Recherche Scientifique : UPR2940 (France)
- Grenoble INP - Institut polytechnique de Grenoble - Grenoble Institute of Technology (46 avenue Félix Viallet 38031 Grenoble Cedex 1 - France)
3
LSIM - Laboratory of Atomistic Simulation (CEA
17, rue des Martyrs
F-38054 Grenoble Cedex 9 - France)
- MEM - Modélisation et Exploration des Matériaux : DRF/IRIG/MEM (CEA
17 rue des Martyrs
F-38054 Grenoble Cedex 9 - France)
- IRIG - Institut de Recherche Interdisciplinaire de Grenoble : DRF/IRIG/DEPHY (France)
- DRF (CEA) - Direction de Recherche Fondamentale (CEA) : DRF/IRIG (Direction de Recherche Fondamentale
Fundamental Research Division
CEA Saclay
91191 Gif-sur-Yvette
- France)
- CEA - Commissariat à l'énergie atomique et aux énergies alternatives (Centre de Saclay Centre de Grenoble Centre de Cadarache etc - France)
- DRF (CEA) - Direction de Recherche Fondamentale (CEA) : DRF/IRIG (Direction de Recherche Fondamentale
Fundamental Research Division
CEA Saclay
91191 Gif-sur-Yvette
- France)
- UGA [2016-2019] - Université Grenoble Alpes [2016-2019] (CS 40700 - 38058 Grenoble cedex - France)
- IRIG - Institut de Recherche Interdisciplinaire de Grenoble : DRF/IRIG/DEPHY (France)
4
MagSup - Magnétisme et Supraconductivité (Institut NEEL, 25 rue des Martyrs, BP 166,
38042 Grenoble cedex 9 - France)
- NEEL - Institut Néel (Institut NEEL, 25 rue des Martyrs, BP 166,
38042 Grenoble cedex 9 - France)
- UJF - Université Joseph Fourier - Grenoble 1 (BP 53 - 38041 Grenoble Cedex 9 - France)
- CNRS - Centre National de la Recherche Scientifique : UPR2940 (France)
- Grenoble INP - Institut polytechnique de Grenoble - Grenoble Institute of Technology (46 avenue Félix Viallet 38031 Grenoble Cedex 1 - France)
5
SIN - Surfaces, Interfaces et Nanostructures (Institut NEEL, 25 rue des Martyrs, BP 166,
38042 Grenoble cedex 9 - France)
- NEEL - Institut Néel (Institut NEEL, 25 rue des Martyrs, BP 166,
38042 Grenoble cedex 9 - France)
- UJF - Université Joseph Fourier - Grenoble 1 (BP 53 - 38041 Grenoble Cedex 9 - France)
- CNRS - Centre National de la Recherche Scientifique : UPR2940 (France)
- Grenoble INP - Institut polytechnique de Grenoble - Grenoble Institute of Technology (46 avenue Félix Viallet 38031 Grenoble Cedex 1 - France)
6
SPINTEC - SPINtronique et TEchnologie des Composants (Institut de Recherche Interdisciplinaire de Grenoble
CEA-Grenoble
17, avenue des Martyrs
38054 GRENOBLE CEDEX 9 - France)
- CNRS - Centre National de la Recherche Scientifique : UMR8191 (France)
- UGA [2016-2019] - Université Grenoble Alpes [2016-2019] (CS 40700 - 38058 Grenoble cedex - France)
- IRIG - Institut de Recherche Interdisciplinaire de Grenoble : DRF/IRIG/DEPHY (France)
- DRF (CEA) - Direction de Recherche Fondamentale (CEA) : DRF/IRIG (Direction de Recherche Fondamentale
Fundamental Research Division
CEA Saclay
91191 Gif-sur-Yvette
- France)
- CEA - Commissariat à l'énergie atomique et aux énergies alternatives (Centre de Saclay Centre de Grenoble Centre de Cadarache etc - France)
- DRF (CEA) - Direction de Recherche Fondamentale (CEA) : DRF/IRIG (Direction de Recherche Fondamentale
Fundamental Research Division
CEA Saclay
91191 Gif-sur-Yvette
- France)
7
SiNaps - Silicon Nanoelectronics Photonics and Structures (CEA
17 rue des Martyrs
F-38054 Grenoble Cedex 9 - France)
- PHELIQS - PHotonique, ELectronique et Ingénierie QuantiqueS : DRF/IRIG/PHELIQS (CEA
17 rue des Martyrs
F-38054 Grenoble Cedex 9 - France)
- UGA [2016-2019] - Université Grenoble Alpes [2016-2019] (CS 40700 - 38058 Grenoble cedex - France)
- IRIG - Institut de Recherche Interdisciplinaire de Grenoble : DRF/IRIG/DEPHY (France)
- DRF (CEA) - Direction de Recherche Fondamentale (CEA) : DRF/IRIG (Direction de Recherche Fondamentale
Fundamental Research Division
CEA Saclay
91191 Gif-sur-Yvette
- France)
- CEA - Commissariat à l'énergie atomique et aux énergies alternatives (Centre de Saclay Centre de Grenoble Centre de Cadarache etc - France)
- DRF (CEA) - Direction de Recherche Fondamentale (CEA) : DRF/IRIG (Direction de Recherche Fondamentale
Fundamental Research Division
CEA Saclay
91191 Gif-sur-Yvette
- France)
8
GPI - A. M. Prokhorov General Physics Institute (Vavilov Str. 38, 119991 Moscow - Russia)
- RAS - Russian Academy of Sciences [Moscow] (Leninsky Ave, 14, Moscow, Russie, 119991 - Russia)
9
LPI RAS - P. N. Lebedev Physical Institute of the Russian Academy of Sciences [Moscow] (Leninsky prospekt., 53, Moscow 117924 - Russia)
- RAS - Russian Academy of Sciences [Moscow] (Leninsky Ave, 14, Moscow, Russie, 119991 - Russia)
Abstract : X-ray absorption (XAS) and x-ray magnetic circular dichroism (XMCD) spectra at the L$_{2,3}$ edges of Mn in (Ge,Mn) compounds have been measured and are compared to the results of first principles calculation. Early \textit{ab initio} studies show that the Density Functional Theory (DFT) can very well describe the valence band electronic properties but fails to reproduce a characteristic change of sign in the L$_{3}$ XMCD spectrum of Mn in Ge$_3$Mn$_5$, which is observed in experiments. In this work we demonstrate that this disagreement is partially related to an underestimation of the exchange splitting of Mn 2$p$ core states within the local density approximation. It is shown that the change in sign experimentally observed is reproduced if the exchange splitting is accurately calculated within the Hartree-Fock approximation, while the final states can be still described by the DFT. This approach is further used to calculate the XMCD in different (Ge,Mn) compounds. It demonstrates that the agreement between experimental and theoretical spectra can be improved by combining state of the art calculations for the core and valence states respectively.
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Journal articles
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https://hal.archives-ouvertes.fr/hal-00739254
Contributor : Samuel Tardif <>
Submitted on : Thursday, October 17, 2013 - 12:04:56 PM
Last modification on : Tuesday, April 6, 2021 - 2:50:02 PM
Long-term archiving on: : Saturday, January 18, 2014 - 4:24:15 AM
Contributor : Samuel Tardif <>
Submitted on : Thursday, October 17, 2013 - 12:04:56 PM
Last modification on : Tuesday, April 6, 2021 - 2:50:02 PM
Long-term archiving on: : Saturday, January 18, 2014 - 4:24:15 AM
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Identifiers
- HAL Id : hal-00739254, version 4
- ARXIV : 1210.1991
- DOI : 10.1016/j.jmmm.2013.10.037
Citation
Samuel Tardif, Andrey Titov, Emmanuel Arras, Ivetta Slipukhina, El-Kebir Hlil, et al.. X-ray magnetic circular dichroism in (Ge,Mn) compounds: experiments and modeling. Journal of Magnetism and Magnetic Materials, Elsevier, 2014, 354, pp.151-158. ⟨10.1016/j.jmmm.2013.10.037⟩. ⟨hal-00739254v4⟩
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